N-butyl-3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propanamide

C14H26N2O3S — CID 60938487

IUPACN-butyl-3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propanamide
SMILESCCCCN(C(=O)CCNC1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H26N2O3S/c1-2-3-9-16(13-7-10-20(18,19)11-13)14(17)6-8-15-12-4-5-12/h12-13,15H,2-11H2,1H3
InChIKeyKXGDQJWNLNTADL-UHFFFAOYSA-N
MW302.44 g/mol
LogP0.94
Rot. Bonds8

About N-butyl-3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propanamide

N-butyl-3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propanamide (PubChem CID 60938487) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is N-butyl-3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propanamide.

Molecular Properties

Compound NameN-butyl-3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propanamide
PubChem CID60938487
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC NameN-butyl-3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propanamide
SMILESCCCCN(C(=O)CCNC1CC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H26N2O3S/c1-2-3-9-16(13-7-10-20(18,19)11-13)14(17)6-8-15-12-4-5-12/h12-13,15H,2-11H2,1H3
InChIKeyKXGDQJWNLNTADL-UHFFFAOYSA-N
XLogP0.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-3-(tert-butylamino)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 60940286
5-[butyl-(1,1-dioxothiolan-3-yl)amino]-5-oxopentanoic acid
CID 60662219
2-[3-(cyclopropylamino)propanoyl-(1,1-dioxothiolan-3-yl)amino]acetic acid
CID 61162405
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide;hydrochloride
CID 119682488
methyl 3-[[(3S)-1,1-dioxothiolan-3-yl]-pentanoylamino]propanoate
CID 39884771
1-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-pentylurea
CID 97064600
butyl-[(3R)-1,1-dioxothiolan-3-yl]carbamodithioic acid
CID 51496105
N-butyl-2-cyclopentylsulfonyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 97027582
N-butyl-2-cyclopentylsulfonyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 71894374
2-[butyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 109003501
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3813491
N-butyl-4-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)butanamide
CID 55776242

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propanamide?
The IUPAC name of N-butyl-3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propanamide (CID 60938487) is N-butyl-3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propanamide.
What is the SMILES notation for N-butyl-3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propanamide?
The canonical SMILES for N-butyl-3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propanamide is CCCCN(C(=O)CCNC1CC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-butyl-3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propanamide?
The InChIKey is KXGDQJWNLNTADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-2-3-9-16(13-7-10-20(18,19)11-13)14(17)6-8-15-12-4-5-12/h12-13,15H,2-11H2,1H3.
What are the key properties of N-butyl-3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propanamide?
N-butyl-3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propanamide has a molecular weight of 302.44 g/mol, XLogP of 0.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propanamide is sourced from PubChem (CID 60938487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).