(3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide

C16H26N6O4S — CID 97344454

IUPAC(3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide
SMILESCN(C)c1ncc(NC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cn1
InChIInChI=1S/C16H26N6O4S/c1-20(2)15-17-10-13(11-18-15)19-16(23)21-5-3-4-14(12-21)27(24,25)22-6-8-26-9-7-22/h10-11,14H,3-9,12H2,1-2H3,(H,19,23)/t14-/m1/s1
InChIKeyMJJWAUJKYHMQNX-CQSZACIVSA-N
MW398.49 g/mol
LogP0.20
Rot. Bonds4

About (3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide

(3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide (PubChem CID 97344454) has the molecular formula C16H26N6O4S and a molecular weight of 398.49 g/mol. Its IUPAC name is (3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide
PubChem CID97344454
Molecular FormulaC16H26N6O4S
Molecular Weight398.49 g/mol
Exact Mass398.17
IUPAC Name(3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide
SMILESCN(C)c1ncc(NC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cn1
InChIInChI=1S/C16H26N6O4S/c1-20(2)15-17-10-13(11-18-15)19-16(23)21-5-3-4-14(12-21)27(24,25)22-6-8-26-9-7-22/h10-11,14H,3-9,12H2,1-2H3,(H,19,23)/t14-/m1/s1
InChIKeyMJJWAUJKYHMQNX-CQSZACIVSA-N
XLogP0.20
TPSA107.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-3-(cyclopentylsulfamoyl)-N-[2-(dimethylamino)pyrimidin-5-yl]piperidine-1-carboxamide
CID 97348384
(3S)-3-morpholin-4-ylsulfonyl-N-phenylpiperidine-1-carboxamide
CID 97343329
(3R)-N-(1-tert-butylpyrazol-4-yl)-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide
CID 97344342
(3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124590792
(3-morpholin-4-ylsulfonylpiperidin-1-yl)-phenylmethanone
CID 75473929
(2-methylphenyl)-[(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]methanone
CID 97343511
[(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 97343487
(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone
CID 75473924
1-(3-morpholin-4-ylsulfonylpiperidin-1-yl)-2-thiophen-2-ylpropan-1-one
CID 127778958
4H-1,3-benzodioxin-6-yl-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone
CID 75473926
(2S)-N-[2-(dimethylamino)pyrimidin-5-yl]-2-(5-methylfuran-2-yl)piperidine-1-carboxamide
CID 99581240
(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-methylmorpholine-4-carboxamide
CID 94165295

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide?
The IUPAC name of (3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide (CID 97344454) is (3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide is CN(C)c1ncc(NC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cn1.
What is the InChIKey of (3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide?
The InChIKey is MJJWAUJKYHMQNX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N6O4S/c1-20(2)15-17-10-13(11-18-15)19-16(23)21-5-3-4-14(12-21)27(24,25)22-6-8-26-9-7-22/h10-11,14H,3-9,12H2,1-2H3,(H,19,23)/t14-/m1/s1.
What are the key properties of (3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide?
(3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(dimethylamino)pyrimidin-5-yl]-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide is sourced from PubChem (CID 97344454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).