3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine

C14H29N3O3S — CID 63539561

IUPAC3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCS(=O)(=O)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H29N3O3S/c1-13(2)15-5-3-11-21(18,19)17-6-4-14(12-17)16-7-9-20-10-8-16/h13-15H,3-12H2,1-2H3
InChIKeyZYRSIQKGSNZHSB-UHFFFAOYSA-N
MW319.47 g/mol
LogP0.11
Rot. Bonds7

About 3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine

3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine (PubChem CID 63539561) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is 3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine
PubChem CID63539561
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC Name3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCS(=O)(=O)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C14H29N3O3S/c1-13(2)15-5-3-11-21(18,19)17-6-4-14(12-17)16-7-9-20-10-8-16/h13-15H,3-12H2,1-2H3
InChIKeyZYRSIQKGSNZHSB-UHFFFAOYSA-N
XLogP0.11
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine
CID 63167863
1-(3-chloropropylsulfonyl)-3-pyrrolidin-1-ylpyrrolidine
CID 63174919
N-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)propyl]cyclopropanamine
CID 79936656
3-(4-ethylpiperazin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine
CID 54973906
N-[3-(propan-2-ylamino)propyl]morpholine-4-sulfonamide
CID 43606820
N-propan-2-yl-3-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylpropan-1-amine
CID 102744605
N-[2-(2-ethylmorpholin-4-yl)sulfonylethyl]propan-2-amine
CID 54972030
1-(3-chloro-2-methylpropyl)sulfonyl-3-pyrrolidin-1-ylpyrrolidine
CID 79586240
4-[1-(4-methylpiperazin-1-yl)sulfonylpiperidin-4-yl]morpholine
CID 166272653
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)propan-1-amine
CID 79938331
1-[1-(2-propan-2-yloxyethylsulfonyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553283
1-methyl-4-[3-(propan-2-ylamino)propylsulfonyl]piperazin-2-one
CID 64693876

Frequently Asked Questions

What is the IUPAC name of 3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine (CID 63539561) is 3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine is CC(C)NCCCS(=O)(=O)N1CCC(N2CCOCC2)C1.
What is the InChIKey of 3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine?
The InChIKey is ZYRSIQKGSNZHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-13(2)15-5-3-11-21(18,19)17-6-4-14(12-17)16-7-9-20-10-8-16/h13-15H,3-12H2,1-2H3.
What are the key properties of 3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine?
3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine has a molecular weight of 319.47 g/mol, XLogP of 0.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 63539561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).