N-butyl-2-cyclopentylsulfonyl-N-(1,1-dioxothiolan-3-yl)acetamide

C15H27NO5S2 — CID 71894374

IUPACN-butyl-2-cyclopentylsulfonyl-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCCCCN(C(=O)CS(=O)(=O)C1CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H27NO5S2/c1-2-3-9-16(13-8-10-22(18,19)11-13)15(17)12-23(20,21)14-6-4-5-7-14/h13-14H,2-12H2,1H3
InChIKeyYKLYSXCRJKFXJX-UHFFFAOYSA-N
MW365.52 g/mol
LogP1.16
Rot. Bonds7

About N-butyl-2-cyclopentylsulfonyl-N-(1,1-dioxothiolan-3-yl)acetamide

N-butyl-2-cyclopentylsulfonyl-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 71894374) has the molecular formula C15H27NO5S2 and a molecular weight of 365.52 g/mol. Its IUPAC name is N-butyl-2-cyclopentylsulfonyl-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-cyclopentylsulfonyl-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID71894374
Molecular FormulaC15H27NO5S2
Molecular Weight365.52 g/mol
Exact Mass365.13
IUPAC NameN-butyl-2-cyclopentylsulfonyl-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCCCCN(C(=O)CS(=O)(=O)C1CCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H27NO5S2/c1-2-3-9-16(13-8-10-22(18,19)11-13)15(17)12-23(20,21)14-6-4-5-7-14/h13-14H,2-12H2,1H3
InChIKeyYKLYSXCRJKFXJX-UHFFFAOYSA-N
XLogP1.16
TPSA88.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-2-cyclopentylsulfonyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 97027582
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(methylamino)acetamide;hydrochloride
CID 119682488
5-[butyl-(1,1-dioxothiolan-3-yl)amino]-5-oxopentanoic acid
CID 60662219
N-butyl-3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 60938487
butyl-[(3R)-1,1-dioxothiolan-3-yl]carbamodithioic acid
CID 51496105
N-butyl-3-(tert-butylamino)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 60940286
2-[butyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 109003501
N-butyl-N-(1,1-dioxothiolan-3-yl)-2,2-difluoroacetamide
CID 103514735
(2R)-N-butyl-N-(1,1-dioxothiolan-3-yl)piperidine-2-carboxamide
CID 104913271
1-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-pentylurea
CID 97064600
N-butyl-N-(1,1-dioxothian-4-yl)acetamide
CID 123376891
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3813491

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-cyclopentylsulfonyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of N-butyl-2-cyclopentylsulfonyl-N-(1,1-dioxothiolan-3-yl)acetamide (CID 71894374) is N-butyl-2-cyclopentylsulfonyl-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for N-butyl-2-cyclopentylsulfonyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for N-butyl-2-cyclopentylsulfonyl-N-(1,1-dioxothiolan-3-yl)acetamide is CCCCN(C(=O)CS(=O)(=O)C1CCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-butyl-2-cyclopentylsulfonyl-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is YKLYSXCRJKFXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5S2/c1-2-3-9-16(13-8-10-22(18,19)11-13)15(17)12-23(20,21)14-6-4-5-7-14/h13-14H,2-12H2,1H3.
What are the key properties of N-butyl-2-cyclopentylsulfonyl-N-(1,1-dioxothiolan-3-yl)acetamide?
N-butyl-2-cyclopentylsulfonyl-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 365.52 g/mol, XLogP of 1.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-cyclopentylsulfonyl-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 71894374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).