2-(propan-2-ylamino)-N-(thian-2-ylmethyl)acetamide

C11H22N2OS — CID 80600978

IUPAC2-(propan-2-ylamino)-N-(thian-2-ylmethyl)acetamide
SMILESCC(C)NCC(=O)NCC1CCCCS1
InChIInChI=1S/C11H22N2OS/c1-9(2)12-8-11(14)13-7-10-5-3-4-6-15-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyXCMLQPCECYHNCU-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.39
Rot. Bonds5

About 2-(propan-2-ylamino)-N-(thian-2-ylmethyl)acetamide

2-(propan-2-ylamino)-N-(thian-2-ylmethyl)acetamide (PubChem CID 80600978) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-N-(thian-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-N-(thian-2-ylmethyl)acetamide
PubChem CID80600978
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name2-(propan-2-ylamino)-N-(thian-2-ylmethyl)acetamide
SMILESCC(C)NCC(=O)NCC1CCCCS1
InChIInChI=1S/C11H22N2OS/c1-9(2)12-8-11(14)13-7-10-5-3-4-6-15-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyXCMLQPCECYHNCU-UHFFFAOYSA-N
XLogP1.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-N-(thian-2-ylmethyl)acetamide
CID 80600083
2-(methylamino)-N-(thiolan-2-ylmethyl)acetamide
CID 80584517
2-(prop-2-ynylamino)-N-(thian-2-ylmethyl)acetamide
CID 80600284
3-oxo-3-(thian-2-ylmethylamino)propanoic acid
CID 80612290
N-ethyl-2-(thian-2-ylmethylamino)acetamide
CID 80600619
4-oxo-4-(thian-2-ylmethylamino)butanoic acid
CID 80596063
4-(2-aminoethyl)-5-methyl-N-(thian-2-ylmethyl)hexanamide
CID 80600778
2-amino-N-[2-oxo-2-(thiolan-2-ylmethylamino)ethyl]acetamide
CID 80584787
2-oxo-2-(thian-2-ylmethylamino)acetic acid
CID 80613174
5-bromo-N-(thian-2-ylmethyl)pentanamide
CID 107910332
N-cyclopropyl-2-(thian-2-ylmethylamino)propanamide
CID 80599814
3-(thian-2-ylmethylamino)butan-2-ol
CID 80600593

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-N-(thian-2-ylmethyl)acetamide?
The IUPAC name of 2-(propan-2-ylamino)-N-(thian-2-ylmethyl)acetamide (CID 80600978) is 2-(propan-2-ylamino)-N-(thian-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(propan-2-ylamino)-N-(thian-2-ylmethyl)acetamide?
The canonical SMILES for 2-(propan-2-ylamino)-N-(thian-2-ylmethyl)acetamide is CC(C)NCC(=O)NCC1CCCCS1.
What is the InChIKey of 2-(propan-2-ylamino)-N-(thian-2-ylmethyl)acetamide?
The InChIKey is XCMLQPCECYHNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-9(2)12-8-11(14)13-7-10-5-3-4-6-15-10/h9-10,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-(propan-2-ylamino)-N-(thian-2-ylmethyl)acetamide?
2-(propan-2-ylamino)-N-(thian-2-ylmethyl)acetamide has a molecular weight of 230.38 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-N-(thian-2-ylmethyl)acetamide is sourced from PubChem (CID 80600978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).