N-[2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]ethyl]methanesulfonamide

C7H16N2O5S2 — CID 60884251

IUPACN-[2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNC1CS(=O)(=O)CC1O
InChIInChI=1S/C7H16N2O5S2/c1-15(11,12)9-3-2-8-6-4-16(13,14)5-7(6)10/h6-10H,2-5H2,1H3
InChIKeyKDCZCIOMAPQEML-UHFFFAOYSA-N
MW272.35 g/mol
LogP-2.72
Rot. Bonds5

About N-[2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]ethyl]methanesulfonamide

N-[2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]ethyl]methanesulfonamide (PubChem CID 60884251) has the molecular formula C7H16N2O5S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]ethyl]methanesulfonamide
PubChem CID60884251
Molecular FormulaC7H16N2O5S2
Molecular Weight272.35 g/mol
Exact Mass272.05
IUPAC NameN-[2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNC1CS(=O)(=O)CC1O
InChIInChI=1S/C7H16N2O5S2/c1-15(11,12)9-3-2-8-6-4-16(13,14)5-7(6)10/h6-10H,2-5H2,1H3
InChIKeyKDCZCIOMAPQEML-UHFFFAOYSA-N
XLogP-2.72
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 5-2.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-Hydroxyethyl)amino]tetrahydrothiophene-3-ol 1,1-dioxide
CID 3093516
4-(3-Dimethylamino-propylamino)-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-ol hydrochloride
CID 9549543
4-(3-Methoxy-propylamino)-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-ol
CID 16187055
4-(3-Hydroxy-propylamino)-1,1-dioxo-tetrahydro-thiophen-3-ol
CID 653668
3-Hydroxy-4-[(methylethyl)amino]thiolane-1,1-dione
CID 2829778
4-[3-(Dimethylamino)propylamino]-1,1-dioxothiolan-3-ol
CID 3131601
4-Isobutylamino-1,1-dioxo-tetrahydrothiophen-3-ol
CID 3131600
4-(3-Methoxypropylamino)-1,1-dioxothiolan-3-ol
CID 3131602
1lambda~6~-Thiolane-1,1-dione--1,1'-azanediyldi(propan-2-ol)--water (1/1/1)
CID 190009
4-[[(2S)-1-fluoropropan-2-yl]amino]-1,1-dioxothiolan-3-ol
CID 131208957
4-[(2-Aminoethyl)amino]tetrahydrothiophene-3-ol 1,1-dioxide
CID 2772237
4-(2-Methoxyethylamino)-1,1-dioxo-tetrahydro-thiophen-3-ol
CID 3144944

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]ethyl]methanesulfonamide (CID 60884251) is N-[2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNC1CS(=O)(=O)CC1O.
What is the InChIKey of N-[2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]ethyl]methanesulfonamide?
The InChIKey is KDCZCIOMAPQEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O5S2/c1-15(11,12)9-3-2-8-6-4-16(13,14)5-7(6)10/h6-10H,2-5H2,1H3.
What are the key properties of N-[2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]ethyl]methanesulfonamide?
N-[2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]ethyl]methanesulfonamide has a molecular weight of 272.35 g/mol, XLogP of -2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 60884251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).