2-[(2-methylthian-3-yl)amino]propanamide

C9H18N2OS — CID 79957724

IUPAC2-[(2-methylthian-3-yl)amino]propanamide
SMILESCC(NC1CCCSC1C)C(N)=O
InChIInChI=1S/C9H18N2OS/c1-6(9(10)12)11-8-4-3-5-13-7(8)2/h6-8,11H,3-5H2,1-2H3,(H2,10,12)
InChIKeyKEKCHBLZXZRPTJ-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.73
Rot. Bonds3

About 2-[(2-methylthian-3-yl)amino]propanamide

2-[(2-methylthian-3-yl)amino]propanamide (PubChem CID 79957724) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-[(2-methylthian-3-yl)amino]propanamide.

Molecular Properties

Compound Name2-[(2-methylthian-3-yl)amino]propanamide
PubChem CID79957724
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name2-[(2-methylthian-3-yl)amino]propanamide
SMILESCC(NC1CCCSC1C)C(N)=O
InChIInChI=1S/C9H18N2OS/c1-6(9(10)12)11-8-4-3-5-13-7(8)2/h6-8,11H,3-5H2,1-2H3,(H2,10,12)
InChIKeyKEKCHBLZXZRPTJ-UHFFFAOYSA-N
XLogP0.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-methyl-2-[(2-methylthian-3-yl)amino]pentanoate
CID 79956844
2-[(2-methylthian-3-yl)amino]propan-1-ol
CID 79957366
2-[(2-methylpiperidin-3-yl)amino]propanamide
CID 130870878
2-cyclopropyl-2-[(2-methylthian-3-yl)amino]acetic acid
CID 79952090
N-(3-ethylpentan-2-yl)-2-methylthian-3-amine
CID 79957150
4-[(2-methylthian-3-yl)amino]cyclohexane-1-carboxamide
CID 79956852
4-methyl-2-[(2-methylthian-3-yl)amino]pentan-1-ol
CID 79957763
(2S)-2-(cyclopropylamino)propanamide
CID 28835909
(2S)-2-(cycloheptylamino)propanamide
CID 93300220
2-methyl-N-[(1R)-1-phenylethyl]thian-3-amine
CID 81351780
2-(8-tricyclo[5.2.1.02,6]decanylamino)propanamide
CID 43402411
2-[[(1R,2R)-2-ethylcyclopropyl]amino]propanamide
CID 131206831

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylthian-3-yl)amino]propanamide?
The IUPAC name of 2-[(2-methylthian-3-yl)amino]propanamide (CID 79957724) is 2-[(2-methylthian-3-yl)amino]propanamide.
What is the SMILES notation for 2-[(2-methylthian-3-yl)amino]propanamide?
The canonical SMILES for 2-[(2-methylthian-3-yl)amino]propanamide is CC(NC1CCCSC1C)C(N)=O.
What is the InChIKey of 2-[(2-methylthian-3-yl)amino]propanamide?
The InChIKey is KEKCHBLZXZRPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-6(9(10)12)11-8-4-3-5-13-7(8)2/h6-8,11H,3-5H2,1-2H3,(H2,10,12).
What are the key properties of 2-[(2-methylthian-3-yl)amino]propanamide?
2-[(2-methylthian-3-yl)amino]propanamide has a molecular weight of 202.32 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylthian-3-yl)amino]propanamide is sourced from PubChem (CID 79957724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).