N,N-dimethyl-3-[(2-methylthiolan-2-yl)methylamino]butanamide

C12H24N2OS — CID 115728225

IUPACN,N-dimethyl-3-[(2-methylthiolan-2-yl)methylamino]butanamide
SMILESCC(CC(=O)N(C)C)NCC1(C)CCCS1
InChIInChI=1S/C12H24N2OS/c1-10(8-11(15)14(3)4)13-9-12(2)6-5-7-16-12/h10,13H,5-9H2,1-4H3
InChIKeyMIVRKYKUWKAFFT-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.73
Rot. Bonds5

About N,N-dimethyl-3-[(2-methylthiolan-2-yl)methylamino]butanamide

N,N-dimethyl-3-[(2-methylthiolan-2-yl)methylamino]butanamide (PubChem CID 115728225) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2-methylthiolan-2-yl)methylamino]butanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2-methylthiolan-2-yl)methylamino]butanamide
PubChem CID115728225
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC NameN,N-dimethyl-3-[(2-methylthiolan-2-yl)methylamino]butanamide
SMILESCC(CC(=O)N(C)C)NCC1(C)CCCS1
InChIInChI=1S/C12H24N2OS/c1-10(8-11(15)14(3)4)13-9-12(2)6-5-7-16-12/h10,13H,5-9H2,1-4H3
InChIKeyMIVRKYKUWKAFFT-UHFFFAOYSA-N
XLogP1.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

2-[(2-methylthiolan-2-yl)methylamino]propanoic acid
CID 80721632
2-[[(butan-2-ylamino)-[(2-methylthiolan-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110046844
N,N-diethyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide
CID 80528101
N-carbamoyl-2-[(2-methylthiolan-2-yl)methylamino]propanamide
CID 80527849
N-(methylcarbamoyl)-2-[(2-methylthiolan-2-yl)methylamino]propanamide
CID 80527987
N-[(2-methylthiolan-2-yl)methyl]pentan-3-amine
CID 80726960
N,N-dimethyl-2-[[[(2-methylthiolan-2-yl)methylamino]-(prop-2-enylamino)methylidene]amino]acetamide
CID 110046837
2-methyl-3-[(2-methylthiolan-2-yl)methylamino]-3-oxopropanoic acid
CID 114898811
3-[[(2R)-2-hydroxypropyl]amino]-N,N-dimethylbutanamide
CID 103906702
3-methoxy-2-[(2-methylthiolan-2-yl)methylamino]propanoic acid
CID 103259883
4-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide;hydrochloride
CID 120563633
2-[[(2-methoxyethylamino)-[(2-methylthiolan-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110046829

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2-methylthiolan-2-yl)methylamino]butanamide?
The IUPAC name of N,N-dimethyl-3-[(2-methylthiolan-2-yl)methylamino]butanamide (CID 115728225) is N,N-dimethyl-3-[(2-methylthiolan-2-yl)methylamino]butanamide.
What is the SMILES notation for N,N-dimethyl-3-[(2-methylthiolan-2-yl)methylamino]butanamide?
The canonical SMILES for N,N-dimethyl-3-[(2-methylthiolan-2-yl)methylamino]butanamide is CC(CC(=O)N(C)C)NCC1(C)CCCS1.
What is the InChIKey of N,N-dimethyl-3-[(2-methylthiolan-2-yl)methylamino]butanamide?
The InChIKey is MIVRKYKUWKAFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-10(8-11(15)14(3)4)13-9-12(2)6-5-7-16-12/h10,13H,5-9H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[(2-methylthiolan-2-yl)methylamino]butanamide?
N,N-dimethyl-3-[(2-methylthiolan-2-yl)methylamino]butanamide has a molecular weight of 244.40 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2-methylthiolan-2-yl)methylamino]butanamide is sourced from PubChem (CID 115728225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).