N-(cyclobutylmethyl)-2-(thian-3-ylamino)ethanesulfonamide

C12H24N2O2S2 — CID 75520150

IUPACN-(cyclobutylmethyl)-2-(thian-3-ylamino)ethanesulfonamide
SMILESO=S(=O)(CCNC1CCCSC1)NCC1CCC1
InChIInChI=1S/C12H24N2O2S2/c15-18(16,14-9-11-3-1-4-11)8-6-13-12-5-2-7-17-10-12/h11-14H,1-10H2
InChIKeyOHHBLRNCMVSMFW-UHFFFAOYSA-N
MW292.47 g/mol
LogP1.19
Rot. Bonds7

About N-(cyclobutylmethyl)-2-(thian-3-ylamino)ethanesulfonamide

N-(cyclobutylmethyl)-2-(thian-3-ylamino)ethanesulfonamide (PubChem CID 75520150) has the molecular formula C12H24N2O2S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-(thian-3-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-(thian-3-ylamino)ethanesulfonamide
PubChem CID75520150
Molecular FormulaC12H24N2O2S2
Molecular Weight292.47 g/mol
Exact Mass292.13
IUPAC NameN-(cyclobutylmethyl)-2-(thian-3-ylamino)ethanesulfonamide
SMILESO=S(=O)(CCNC1CCCSC1)NCC1CCC1
InChIInChI=1S/C12H24N2O2S2/c15-18(16,14-9-11-3-1-4-11)8-6-13-12-5-2-7-17-10-12/h11-14H,1-10H2
InChIKeyOHHBLRNCMVSMFW-UHFFFAOYSA-N
XLogP1.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Cyclobutyl-1lambda6-thiomorpholine-1,1-dione
CID 105443920
N-[(1,1-dioxothian-4-yl)methyl]propan-2-amine
CID 58786920
N-(2-methylpropyl)-1,1-dioxothian-3-amine
CID 63909862
N-[(1,1-dioxothian-3-yl)methyl]propan-2-amine
CID 65910022
4-{[(1r,3r)-3-Aminocyclobutyl]methyl}-1lambda6-thiomorpholine-1,1-dione
CID 67216215
1-(Cyclobutylmethylsulfonyl)piperidin-4-amine
CID 67402900
7-Methyl-5,5-dioxo-5lambda6-thia-8-azaspiro[3.5]nonane-9-thione
CID 138718197
(3R,4S)-3-(propan-2-ylsulfonylmethyl)piperidin-4-amine
CID 141112665
N-(cyclobutylmethyl)-3-piperidin-1-ylsulfonylpropan-1-amine
CID 173135259
1-butylsulfonyl-N-(cyclobutylmethyl)piperidin-4-amine
CID 178423814
N-(cyclobutylmethyl)-1,1-dioxothiolan-3-amine
CID 43298589
N-(3-methylbutyl)-1,1-dioxothian-4-amine
CID 43511495

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-(thian-3-ylamino)ethanesulfonamide?
The IUPAC name of N-(cyclobutylmethyl)-2-(thian-3-ylamino)ethanesulfonamide (CID 75520150) is N-(cyclobutylmethyl)-2-(thian-3-ylamino)ethanesulfonamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2-(thian-3-ylamino)ethanesulfonamide?
The canonical SMILES for N-(cyclobutylmethyl)-2-(thian-3-ylamino)ethanesulfonamide is O=S(=O)(CCNC1CCCSC1)NCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-2-(thian-3-ylamino)ethanesulfonamide?
The InChIKey is OHHBLRNCMVSMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S2/c15-18(16,14-9-11-3-1-4-11)8-6-13-12-5-2-7-17-10-12/h11-14H,1-10H2.
What are the key properties of N-(cyclobutylmethyl)-2-(thian-3-ylamino)ethanesulfonamide?
N-(cyclobutylmethyl)-2-(thian-3-ylamino)ethanesulfonamide has a molecular weight of 292.47 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-(thian-3-ylamino)ethanesulfonamide is sourced from PubChem (CID 75520150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).