N,N-dimethyl-4-(thian-2-ylmethylamino)butanamide

C12H24N2OS — CID 80599931

IUPACN,N-dimethyl-4-(thian-2-ylmethylamino)butanamide
SMILESCN(C)C(=O)CCCNCC1CCCCS1
InChIInChI=1S/C12H24N2OS/c1-14(2)12(15)7-5-8-13-10-11-6-3-4-9-16-11/h11,13H,3-10H2,1-2H3
InChIKeyTXKAPONNBPLSBS-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.73
Rot. Bonds6

About N,N-dimethyl-4-(thian-2-ylmethylamino)butanamide

N,N-dimethyl-4-(thian-2-ylmethylamino)butanamide (PubChem CID 80599931) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is N,N-dimethyl-4-(thian-2-ylmethylamino)butanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(thian-2-ylmethylamino)butanamide
PubChem CID80599931
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC NameN,N-dimethyl-4-(thian-2-ylmethylamino)butanamide
SMILESCN(C)C(=O)CCCNCC1CCCCS1
InChIInChI=1S/C12H24N2OS/c1-14(2)12(15)7-5-8-13-10-11-6-3-4-9-16-11/h11,13H,3-10H2,1-2H3
InChIKeyTXKAPONNBPLSBS-UHFFFAOYSA-N
XLogP1.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-3-(thiolan-2-ylmethylamino)propanamide
CID 80585387
5-(thian-2-ylmethylamino)pentanoic acid
CID 103257954
N-(thian-2-ylmethyl)hexan-1-amine
CID 80600552
2-(thian-2-ylmethylamino)ethanol
CID 80601199
4-[(4-hydroxycyclohexyl)methylamino]-N,N-dimethylbutanamide
CID 106133750
N,N-dimethyl-4-[(3-methylcyclohexyl)methylamino]butanamide
CID 103883917
N,N-dimethyl-4-[(3-methylcyclopentyl)methylamino]butanamide
CID 107412884
methyl 2-(thian-2-ylmethylamino)acetate
CID 80600319
3-fluoro-N-(thiolan-2-ylmethyl)propan-1-amine
CID 81106470
N-ethyl-2-(thian-2-ylmethylamino)acetamide
CID 80600619
2-oxo-2-(thian-2-ylmethylamino)acetic acid
CID 80613174
4-(cyclobutylamino)-N,N-dimethylbutanamide
CID 62415155

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(thian-2-ylmethylamino)butanamide?
The IUPAC name of N,N-dimethyl-4-(thian-2-ylmethylamino)butanamide (CID 80599931) is N,N-dimethyl-4-(thian-2-ylmethylamino)butanamide.
What is the SMILES notation for N,N-dimethyl-4-(thian-2-ylmethylamino)butanamide?
The canonical SMILES for N,N-dimethyl-4-(thian-2-ylmethylamino)butanamide is CN(C)C(=O)CCCNCC1CCCCS1.
What is the InChIKey of N,N-dimethyl-4-(thian-2-ylmethylamino)butanamide?
The InChIKey is TXKAPONNBPLSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-14(2)12(15)7-5-8-13-10-11-6-3-4-9-16-11/h11,13H,3-10H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(thian-2-ylmethylamino)butanamide?
N,N-dimethyl-4-(thian-2-ylmethylamino)butanamide has a molecular weight of 244.40 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(thian-2-ylmethylamino)butanamide is sourced from PubChem (CID 80599931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).