N-carbamoyl-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propanamide

C14H21N5O4S2 — CID 43031074

IUPACN-carbamoyl-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propanamide
SMILESCC(Sc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C(=O)NC(N)=O
InChIInChI=1S/C14H21N5O4S2/c1-10(13(20)17-14(15)21)24-12-4-3-11(9-16-12)25(22,23)19-7-5-18(2)6-8-19/h3-4,9-10H,5-8H2,1-2H3,(H3,15,17,20,21)
InChIKeyHGNVRBKOHIXQQE-UHFFFAOYSA-N
MW387.49 g/mol
LogP-0.31
Rot. Bonds5

About N-carbamoyl-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propanamide

N-carbamoyl-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propanamide (PubChem CID 43031074) has the molecular formula C14H21N5O4S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is N-carbamoyl-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propanamide
PubChem CID43031074
Molecular FormulaC14H21N5O4S2
Molecular Weight387.49 g/mol
Exact Mass387.10
IUPAC NameN-carbamoyl-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propanamide
SMILESCC(Sc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C(=O)NC(N)=O
InChIInChI=1S/C14H21N5O4S2/c1-10(13(20)17-14(15)21)24-12-4-3-11(9-16-12)25(22,23)19-7-5-18(2)6-8-19/h3-4,9-10H,5-8H2,1-2H3,(H3,15,17,20,21)
InChIKeyHGNVRBKOHIXQQE-UHFFFAOYSA-N
XLogP-0.31
TPSA125.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-cyclopentyl-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propanamide
CID 7778984
(2S)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide
CID 25393963
(2S)-N-carbamoyl-3-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]butanamide
CID 7594090
(2S)-N-propan-2-yl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 39965753
1-(azepan-1-yl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propan-1-one
CID 22109709
(2S)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-[(1S)-1-phenylbutyl]propanamide
CID 25408598
N-cycloheptyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 46625230
(2S)-N-cyclopentyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 7561729
(2R)-N-cyclopentyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propanamide
CID 7561730
(2S)-N-(1,3-benzodioxol-5-yl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propanamide
CID 27558905
methyl 2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]propanoate
CID 42929024
2-[[(2R)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide
CID 41210634

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propanamide?
The IUPAC name of N-carbamoyl-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propanamide (CID 43031074) is N-carbamoyl-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propanamide.
What is the SMILES notation for N-carbamoyl-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propanamide?
The canonical SMILES for N-carbamoyl-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propanamide is CC(Sc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propanamide?
The InChIKey is HGNVRBKOHIXQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O4S2/c1-10(13(20)17-14(15)21)24-12-4-3-11(9-16-12)25(22,23)19-7-5-18(2)6-8-19/h3-4,9-10H,5-8H2,1-2H3,(H3,15,17,20,21).
What are the key properties of N-carbamoyl-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propanamide?
N-carbamoyl-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propanamide has a molecular weight of 387.49 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]propanamide is sourced from PubChem (CID 43031074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).